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root/OpenMD/branches/development/src/brains/ForceManager.cpp
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Comparing:
trunk/src/brains/ForceManager.cpp (file contents), Revision 1464 by gezelter, Fri Jul 9 19:29:05 2010 UTC vs.
branches/development/src/brains/ForceManager.cpp (file contents), Revision 1467 by gezelter, Sat Jul 17 15:33:03 2010 UTC

# Line 57 | Line 57
57   #include "primitives/Bend.hpp"
58   #include "primitives/Torsion.hpp"
59   #include "primitives/Inversion.hpp"
60 + #include "nonbonded/LJ.hpp"
61 +
62   namespace OpenMD {
63  
64    void ForceManager::calcForces() {
# Line 65 | Line 67 | namespace OpenMD {
67        info_->update();
68      }
69      
70 +    if (!NBforcesInitialized_) {
71 +      LJ* lj = new LJ(info_->getForceField());
72 +      lj->initialize();
73 +    }
74 +
75      preCalculation();
76      
77      calcShortRangeInteraction();

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